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Topological Phase Transition in Ultrathin Sb and Sn Films : A First-Principles StudyChen, Chia-Yu 24 July 2012 (has links)
Band structures of ultrathin films of heavy elements, £\-Sn and Sb, were investigated using first-principle calculations with the inclusion of spin-orbit coupling. The band structures were gradually varied as the physical parameters were adjusted. The band inversion was obtained at the high symmetry point in Brillouin zone, making a topological phase transition. In this study, the band inversion at £F point of the Brillouin zone was predicted in single bi-layer of Sb(111) and single bi-layer and two bi-layers of £\-Sn(111). The topological phase transition is from trivial insulator to topological insulator for single bi-layer of Sb(111). Finally, the topological phase transition is from trivial semi-metal to topological semi-metal for single bi-layer of £\-Sn(111), whereas as it is from topological semi-metal to trivial metal for two bi-layers of £\-Sn(111).
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